Hydrochloric Acid

Hydrochloric Acid

SCHEMBL27415437

COc1cc(-c2nc(CNCc3ccccc3)c[nH]2)ccc1Cl.Cl.Cl

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ABL1ACEACHEACVR1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALKAVPR1AAVPR2BCHEBCRCA2CACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCASRCCR5CDK4CDK6CFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNA3CHRNA7CHRNB1CHRNB4CHRNDCHRNECHRNGCOXFA4COXFA4L2CRBNCSF1RCUL4ACYP19A1DDB1DPP4DRD1DRD2DRD3DRD4EDNRAEGFREML4ERBB2ERBB4ESR1ESR2FGFR1FGFR3FLT1FLT3FLT4GAAGABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGHSRGLAGNRHRGPD2GRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BGSTP1HCN4HCRTR1HCRTR2HDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HRH2HRH3HSD11B1HSP90AA1HSP90AB1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IMPDH1IMPDH2ITGA2BITGB3ITKJAK1JAK2KCNA1KCNA10KCNA2KCNA3KCNA4KCNA5KCNA6KCNA7KCNB1KCNB2KCNC1KCNC2KCNC3KCNC4KCND1KCND2KCND3KCNF1KCNG1KCNG2KCNG3KCNG4KCNH1KCNH2KCNH3KCNH4KCNH5KCNH6KCNH7KCNH8KCNJ2KCNJ3KCNJ5KCNK3KCNK9KCNQ1KCNQ2KCNQ3KCNQ4KCNQ5KCNS1KCNS2KCNS3KCNV1KCNV2KDRKITKLKB1LCKMMAOAMAOBMAPK14METMMP1MMP13MMP7MMP8MT-ND1MT-ND2MT-ND3MT-ND4MT-ND4LMT-ND5MT-ND6NDUFA1NDUFA10NDUFA11NDUFA12NDUFA13NDUFA2NDUFA3NDUFA5NDUFA6NDUFA7NDUFA8NDUFA9NDUFAB1NDUFAF1NDUFAF2NDUFAF3NDUFAF4NDUFB1NDUFB10NDUFB11NDUFB2NDUFB3NDUFB4NDUFB5NDUFB6NDUFB7NDUFB8NDUFB9NDUFC1NDUFC2NDUFS1NDUFS2NDUFS3NDUFS4NDUFS5NDUFS6NDUFS7NDUFS8NDUFV1NDUFV2NDUFV3NR3C1NS5ANTRK1NTRK2NTRK3ODC1OPRD1OPRK1OPRM1P2RY12PAHPARP1PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDE5APDE7APDE7BPDE8APDE8BPDGFRAPDGFRBPIK3CAPIK3CDPNPPOLA1POLA2POLD1POLD2POLD3POLD4POLEPOLE2POLE3PPARGPRIM1PRIM2PRKCAPRKCBPRKCDPRKCEPRKCGPRKCHPRKCIPRKCQPRKCZPRKD1PRKD3PTGS1PTGS2RBX1RENRETROCK1ROCK2RPE65RRM1RRM2RRM2BS1PR1S1PR2S1PR3S1PR4S1PR5SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC18A2SLC6A1SLC6A2SLC6A3SLC6A4SLC9A3SRCTACR1TOP1TOP2ATOP2BTTRTYMPdacAdacBdacCembAfolAftsIgyrAgyrBmrcAmrcBmrdAparCparEpolrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of Hydrochloric Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA known ✓ P10253 1/20 0.37
HTR1A known ✓ P08908 1/20 0.37
HTR1D known ✓ P28221 1/20 0.37
HTR1B known ✓ P28222 1/20 0.37
HTR2A known ✓ P28223 1/20 0.37
HTR2C known ✓ P28335 1/20 0.37
HTR7 known ✓ P34969 1/20 0.37
HTR2B known ✓ P41595 1/20 0.37
HTR5A known ✓ P47898 1/20 0.37
HTR6 known ✓ P50406 1/20 0.37
KMT2A Q03164 8/20 0.42
MEN1 O00255 7/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
L3MBTL1 Q9Y468 4/20 0.41
PKM P14618 1/20 0.41
ADORA3 P0DMS8 1/20 0.39
ADORA1 P30542 1/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.39
KDM4E B2RXH2 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7161302 0.79 KMO (0.43) KMT2AMEN1L3MBTL1ALDH1A1KDM4E
SCHEMBL27416160 0.72 POLB (0.50) KMT2AMEN1ALDH1A1KDM4EHTT
SCHEMBL7159598 0.69 KMO (0.45) ADORA1ALDH1A1KDM4EGAA
Hydrochloric Acid SCHEMBL6778126 0.68 SMN1; SMN2 (0.51) KMT2AMEN1SMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL8689298 0.65 VCP (0.48) KMT2AMEN1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL27526149 0.65 MAPT (0.51) KMT2AMEN1ALDH1A1MAPTKDM4E
SCHEMBL457121 0.65 DYRK1A (0.56) KMT2AMEN1L3MBTL1ALDH1A1MAPT
SCHEMBL29008478 0.65 KDM4E (0.48) KMT2AMEN1ADORA3ALDH1A1MAPT
Hydrochloric Acid SCHEMBL2837888 0.65 KDM4E (0.41) KMT2AMEN1SMN1; SMN2L3MBTL1PKM
SCHEMBL4423277 0.65 TUBB4A (0.49) KMT2AMEN1ALDH1A1MAPTKDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1092643-C Aminomethyl phenylimidazole derivatives for memory enhancement NEUROGEN CORP (US) 2002-10-16 CN claimed
CN-1158608-A Certain aminomethyl phenylidazole derivatives, a new class of dopamine receptor subtype specific ligands NEUROGEN CORP (US) 1997-09-03 CN claimed
CN-1092643-C Aminomethyl phenylimidazole derivatives for memory enhancement NEUROGEN CORP (US) 2002-10-16 CN disclosed
CN-1088062-C Certain 4 -aminomethyl -2 -substituted imidazole derivatives and 2 -aminomethyl -4 -substituted imidazole derivatives, new classes of dopamine receptor subtype specific ligands NEUROGEN CORP (US) 2002-07-24 CN disclosed
CN-1177349-A Certain 4 -aminomethyl -2 -substituted imidazole derivatives and 2 -aminomethyl -4 -substituted imidazole derivatives, new classes of dopamine receptor subtype specific ligands NEUROGEN CORP (US) 1998-03-25 CN disclosed
CN-1158608-A Certain aminomethyl phenylidazole derivatives, a new class of dopamine receptor subtype specific ligands NEUROGEN CORP (US) 1997-09-03 CN disclosed